Geometry & MOs

Info

ID:	83064
PubChem CID:	49857084
Reduced:	NO4H9C13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	245.014664
ΔH_f, kcal/mol:	-20.46
Dipole, Da:	5.88
IP(EA), eV:	-9.3(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nitrodibenzothiophen-4-ol

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)[N+](=O)[O-])C3=CC=CC=C3O2

DOS

IR

Vibrations